%chk=000227326.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227326

0 1
 O  -1.7800000E-02   3.270200      0.4710000    
 O   0.7551000     -0.2140000      -2.088700    
 O  -0.8768000     -0.5395000       2.134500    
 O    1.699700       3.129800      -1.015500    
 N   0.8384000       2.494700     -0.3676000    
 N  -0.8920000       2.388300       1.095800    
 C   0.4960000       1.212200     -0.2531000    
 C  -0.5392000       1.221600      0.6327000    
 C    1.150400      0.1530000     -0.9591000    
 C    2.341900     -0.5890000     -0.4118000    
 C   -1.299100      2.9600000E-02   1.116800    
 C   -2.488700     -0.4635000      0.4413000    
 C    2.816500     -0.2278000      0.8209000    
 C    2.887800      -1.585600      -1.176200    
 C   -2.958900      0.1810000     -0.7028000    
 C   -3.159500      -1.581100      0.9376000    
 C    3.920000     -0.9146000       1.327200    
 C    3.991100      -2.272500     -0.6698000    
 C   -4.100200     -0.2920000      -1.350600    
 C   -4.300700      -2.054300      0.2899000    
 C    4.507100      -1.937000      0.5820000    
 C   -4.771000      -1.409600     -0.8543000    
 H    2.383700      0.5621000       1.424300    
 H    2.504900      -1.865100      -2.152000    
 H   -2.467100       1.053600      -1.122000    
 H   -2.814000      -2.101500       1.826900    
 H    4.322300     -0.6536000       2.301800    
 H    4.448600      -3.068700      -1.249800    
 H   -4.466800      0.2096000      -2.241500    
 H   -4.823300      -2.924500      0.6760000    
 H    5.366200      -2.471800      0.9763000    
 H   -5.659500      -1.778000      -1.358600    


%chk=000227326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227326

0 1
O -0.253333 2.916166 0.260116
O 1.028439 -0.895037 -1.919114
O -0.792963 -1.557571 0.534343
O 2.232458 2.682937 -0.345174
N 1.160792 2.049783 -0.181328
N -1.226623 1.958623 0.327038
C 0.697165 0.791522 -0.278473
C -0.717921 0.744846 0.022445
C 1.511924 -0.335601 -0.896559
C 2.820810 -0.691795 -0.296967
C -1.475904 -0.539591 0.197432
C -2.950569 -0.598272 0.002532
C 3.232485 -0.187547 0.966118
C 3.668638 -1.583240 -1.011268
C -3.702097 0.455386 -0.588080
C -3.615097 -1.792162 0.402544
C 4.475645 -0.571743 1.507143
C 4.911332 -1.959833 -0.470553
C -5.093774 0.313407 -0.768664
C -5.003598 -1.927391 0.223655
C 5.317566 -1.454050 0.789591
C -5.747446 -0.873369 -0.363038
H 2.577788 0.482894 1.533289
H 3.329477 -1.965513 -1.979677
H -3.205812 1.375323 -0.907306
H -3.017540 -2.595345 0.846034
H 4.789410 -0.187335 2.483070
H 5.564291 -2.644263 -1.022027
H -5.667605 1.125507 -1.227270
H -5.509188 -2.847050 0.536513
H 6.285068 -1.748648 1.210999
H -6.828719 -0.979039 -0.505768


